Hello,
I am trying to calculate a pore size distribution of a polymer(PIM-1) which data file is in united atom model. I have tried with zeo++ software but the it only allows upto 2.4 A radius for psd calculation. However, in my united atom model the highest radius is 6.4 A.
Could anyone please suggest me how I can calculate the pore size distribution?
Increasing polymer concentration shifts the pore size distribution of fabricated gas-liquid membrane contactors toward smaller pores. liquid–liquid displacement porosimetry (LLDP) is a method used to determine pore size distribution in polymeric membranes with good accuracy and reproducibility. Calculate pore size distribution for a polymer using two-phase volume ratio R, radius of secondary particle S2, and probability P(x) that a given pore contains x vacant particles, revealing that when particle concentration decreases, average pore size increases.
I am doing MD simulation so I can not apply the experimental tests for a MD simulations lammps data files
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